octyl 2-(tetradecanoylamino)acetate

C24H47NO3 — CID 18625127

IUPACoctyl 2-(tetradecanoylamino)acetate
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)OCCCCCCCC
InChIInChI=1S/C24H47NO3/c1-3-5-7-9-11-12-13-14-15-16-18-20-23(26)25-22-24(27)28-21-19-17-10-8-6-4-2/h3-22H2,1-2H3,(H,25,26)
InChIKeyQBGBCZRLBMRCEI-UHFFFAOYSA-N
MW397.64 g/mol
LogP6.71
Rot. Bonds21

About octyl 2-(tetradecanoylamino)acetate

octyl 2-(tetradecanoylamino)acetate (PubChem CID 18625127) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is octyl 2-(tetradecanoylamino)acetate.

Molecular Properties

Compound Nameoctyl 2-(tetradecanoylamino)acetate
PubChem CID18625127
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Nameoctyl 2-(tetradecanoylamino)acetate
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)OCCCCCCCC
InChIInChI=1S/C24H47NO3/c1-3-5-7-9-11-12-13-14-15-16-18-20-23(26)25-22-24(27)28-21-19-17-10-8-6-4-2/h3-22H2,1-2H3,(H,25,26)
InChIKeyQBGBCZRLBMRCEI-UHFFFAOYSA-N
XLogP6.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-dodecanoyl-L-Homoserine lactone
CID 10221437
Octadecanoic acid, 2-[(1-oxooctadecyl)amino]ethyl ester
CID 84377
Hexadecanoylamino-acetic acid methyl ester
CID 10471679
Ceramide NS Dilaurate
CID 73425527
Quaternium-70
CID 111772
Palmitoyl myristyl serinate
CID 54485594
Dodecanoic acid, 1,1'-[[(1-oxododecyl)imino]di-2,1-ethanediyl] ester
CID 5181497
N-hexadecanoyl-L-Homoserine lactone
CID 11609787
N-octadecanoyl-L-Homoserine lactone
CID 69757690
N-Dodecanoyl-DL-homoserine lactone
CID 11565426
(S)-N-tetradecanoyl-HSL
CID 58122267
Distearyl lauroyl glutamate
CID 53660809

Frequently Asked Questions

What is the IUPAC name of octyl 2-(tetradecanoylamino)acetate?
The IUPAC name of octyl 2-(tetradecanoylamino)acetate (CID 18625127) is octyl 2-(tetradecanoylamino)acetate.
What is the SMILES notation for octyl 2-(tetradecanoylamino)acetate?
The canonical SMILES for octyl 2-(tetradecanoylamino)acetate is CCCCCCCCCCCCCC(=O)NCC(=O)OCCCCCCCC.
What is the InChIKey of octyl 2-(tetradecanoylamino)acetate?
The InChIKey is QBGBCZRLBMRCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO3/c1-3-5-7-9-11-12-13-14-15-16-18-20-23(26)25-22-24(27)28-21-19-17-10-8-6-4-2/h3-22H2,1-2H3,(H,25,26).
What are the key properties of octyl 2-(tetradecanoylamino)acetate?
octyl 2-(tetradecanoylamino)acetate has a molecular weight of 397.64 g/mol, XLogP of 6.71, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-(tetradecanoylamino)acetate is sourced from PubChem (CID 18625127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).